Binding Energies of Hydrogen-Bonded cis-Amide and Nucleobase Dimers: An Evaluation of DFT Performance
The understanding of biological processes at the molecular level demands accurate knowledge of the nonbonded interactions that control the geometries, binding energies and dynamics of the supramolecular structures involved. High level ab initio methods are still prohibitively expensive for...
| Main Authors: | , |
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| Format: | Article |
| Language: | deu |
| Published: |
Swiss Chemical Society
2005-07-01
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| Series: | CHIMIA |
| Subjects: | |
| Online Access: | https://chimia.ch/chimia/article/view/4024 |